SpectraBase Compound ID | LMtmu13hwZk |
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InChI | InChI=1S/C25H47NO3/c1-3-5-7-9-10-11-12-14-16-22-29-25(28)23-18-20-26(21-19-23)24(27)17-15-13-8-6-4-2/h23H,3-22H2,1-2H3 |
InChIKey | YZEISMRKDDHYHJ-UHFFFAOYSA-N |
Mol Weight | 409.7 g/mol |
Molecular Formula | C25H47NO3 |
Exact Mass | 409.355594 g/mol |
SpectraBase Spectrum ID | 5HePCT9K3dD |
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Name | Isonipecotic acid, N-(octanoyl)-, undecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 409.355594374 u |
Formula | C25H47NO3 |
InChI | InChI=1S/C25H47NO3/c1-3-5-7-9-10-11-12-14-16-22-29-25(28)23-18-20-26(21-19-23)24(27)17-15-13-8-6-4-2/h23H,3-22H2,1-2H3 |
InChIKey | YZEISMRKDDHYHJ-UHFFFAOYSA-N |
Molecular Weight | 409.655 g/mol |
SMILES | C(CCCCCC(N1CCC(C(OCCCCCCCCCCC)=O)CC1)=O)C |